4-(4-amino-2-chlorophenyl)sulfanylphenol

C12H10ClNOS — CID 91879703

IUPAC4-(4-amino-2-chlorophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C12H10ClNOS/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1-7,15H,14H2
InChIKeyUVQBBCMTNKMYKO-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.78
Rot. Bonds2

About 4-(4-amino-2-chlorophenyl)sulfanylphenol

4-(4-amino-2-chlorophenyl)sulfanylphenol (PubChem CID 91879703) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 4-(4-amino-2-chlorophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-amino-2-chlorophenyl)sulfanylphenol
PubChem CID91879703
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name4-(4-amino-2-chlorophenyl)sulfanylphenol
SMILESNc1ccc(Sc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C12H10ClNOS/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1-7,15H,14H2
InChIKeyUVQBBCMTNKMYKO-UHFFFAOYSA-N
XLogP3.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)sulfanyl-3-chloroaniline
CID 43345337
4-(4-amino-2-fluorophenyl)sulfanylphenol
CID 91879702
4-(2-chloro-4-ethylphenyl)sulfanylphenol
CID 91879878
4-(4-aminophenyl)sulfanylphenol
CID 22026416
3-amino-4-(4-hydroxyphenyl)sulfanylphenol
CID 67040301
4-(2-chloro-4-hydroxyphenyl)sulfanylbenzoic acid
CID 91879639
(4-amino-2-chlorophenyl) thiohypofluorite
CID 144675924
2-[2-(4-aminophenyl)sulfanyl-5-hydroxyphenyl]acetic acid
CID 91879688
3-chloro-4-(4-chloro-2-methylphenyl)sulfanylaniline
CID 10221452
1-[5-amino-2-(4-chlorophenyl)sulfanylphenyl]ethanone
CID 91875788
4-chloro-3-(2,5-diaminophenyl)sulfanylphenol
CID 118867611
4-(4-chlorophenyl)sulfanyl-3-(difluoromethyl)aniline
CID 63735346

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chlorophenyl)sulfanylphenol?
The IUPAC name of 4-(4-amino-2-chlorophenyl)sulfanylphenol (CID 91879703) is 4-(4-amino-2-chlorophenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-amino-2-chlorophenyl)sulfanylphenol?
The canonical SMILES for 4-(4-amino-2-chlorophenyl)sulfanylphenol is Nc1ccc(Sc2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2-chlorophenyl)sulfanylphenol?
The InChIKey is UVQBBCMTNKMYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-11-7-8(14)1-6-12(11)16-10-4-2-9(15)3-5-10/h1-7,15H,14H2.
What are the key properties of 4-(4-amino-2-chlorophenyl)sulfanylphenol?
4-(4-amino-2-chlorophenyl)sulfanylphenol has a molecular weight of 251.74 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chlorophenyl)sulfanylphenol is sourced from PubChem (CID 91879703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).